5-chloro-4-(2,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one

C11H16ClN3O — CID 136971214

IUPAC5-chloro-4-(2,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CCCN(c2nc[nH]c(=O)c2Cl)C1C
InChIInChI=1S/C11H16ClN3O/c1-7-4-3-5-15(8(7)2)10-9(12)11(16)14-6-13-10/h6-8H,3-5H2,1-2H3,(H,13,14,16)
InChIKeyMNTVTENYUFOTOC-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.05
Rot. Bonds1

About 5-chloro-4-(2,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one

5-chloro-4-(2,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136971214) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 5-chloro-4-(2,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136971214
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name5-chloro-4-(2,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CCCN(c2nc[nH]c(=O)c2Cl)C1C
InChIInChI=1S/C11H16ClN3O/c1-7-4-3-5-15(8(7)2)10-9(12)11(16)14-6-13-10/h6-8H,3-5H2,1-2H3,(H,13,14,16)
InChIKeyMNTVTENYUFOTOC-UHFFFAOYSA-N
XLogP2.05
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-4-(2,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-methyl-4-[2-[(3R)-1-methylpiperidin-3-yl]ethylamino]-1H-pyrimidin-6-one
CID 137148245
5-chloro-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009786
5-chloro-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009791
4-[2-(2-aminoethyl)pentylamino]-5-chloro-1H-pyrimidin-6-one
CID 136704106
5-chloro-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one
CID 136716231
5-chloro-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136731873
5-chloro-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136733818
5-chloro-4-(3-chloro-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749170
4-(3-bromo-4-methylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 136749173
5-chloro-4-[4-(1-chloroethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136772455
4-[4-(1-bromoethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136772458
5-chloro-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778294

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136971214) is 5-chloro-4-(2,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one is CC1CCCN(c2nc[nH]c(=O)c2Cl)C1C.
What is the InChIKey of 5-chloro-4-(2,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is MNTVTENYUFOTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7-4-3-5-15(8(7)2)10-9(12)11(16)14-6-13-10/h6-8H,3-5H2,1-2H3,(H,13,14,16).
What are the key properties of 5-chloro-4-(2,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one?
5-chloro-4-(2,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 241.72 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136971214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).